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Fluorine in PDB 6ctr: Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Chf (R & S Isomers), Beta, Gamma Dctp Analogue

Enzymatic activity of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Chf (R & S Isomers), Beta, Gamma Dctp Analogue

All present enzymatic activity of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Chf (R & S Isomers), Beta, Gamma Dctp Analogue:
2.7.7.7;

Protein crystallography data

The structure of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Chf (R & S Isomers), Beta, Gamma Dctp Analogue, PDB code: 6ctr was solved by V.K.Batra, S.H.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 23.74 / 1.85
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 50.810, 79.712, 55.437, 90.00, 107.72, 90.00
R / Rfree (%) 17.2 / 22.2

Other elements in 6ctr:

The structure of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Chf (R & S Isomers), Beta, Gamma Dctp Analogue also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Chlorine (Cl) 1 atom
Sodium (Na) 3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Chf (R & S Isomers), Beta, Gamma Dctp Analogue (pdb code 6ctr). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Chf (R & S Isomers), Beta, Gamma Dctp Analogue, PDB code: 6ctr:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 6ctr

Go back to Fluorine Binding Sites List in 6ctr
Fluorine binding site 1 out of 2 in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Chf (R & S Isomers), Beta, Gamma Dctp Analogue


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Chf (R & S Isomers), Beta, Gamma Dctp Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F404

b:24.4
occ:0.63
F4B A:F3C404 0.0 24.4 0.6
C3B A:F3C404 1.4 22.6 0.6
C3B A:FF4405 1.4 22.6 0.4
F4B A:FF4405 2.3 22.7 0.4
PG A:F3C404 2.6 30.9 0.6
PG A:FF4405 2.6 30.9 0.4
PB A:F3C404 2.7 19.3 0.6
PB A:FF4405 2.7 19.3 0.4
O3G A:F3C404 2.9 25.7 0.6
O3G A:FF4405 2.9 25.7 0.4
O2B A:F3C404 2.9 17.4 0.6
O2B A:FF4405 2.9 17.4 0.4
O A:HOH800 3.0 30.8 1.0
NH2 A:ARG183 3.0 21.2 1.0
O1G A:F3C404 3.3 38.2 0.6
O1G A:FF4405 3.3 38.2 0.4
CB A:SER180 3.4 18.4 1.0
O1B A:F3C404 3.5 19.4 0.6
O1B A:FF4405 3.5 19.4 0.4
OG A:SER180 3.7 22.4 1.0
O2G A:F3C404 3.8 25.5 0.6
O2G A:FF4405 3.8 25.5 0.4
O3A A:F3C404 3.9 21.3 0.6
O3A A:FF4405 3.9 21.3 0.4
CZ A:ARG183 4.1 20.7 1.0
O A:HOH724 4.1 18.5 1.0
O A:HOH751 4.2 35.0 1.0
NH1 A:ARG183 4.2 16.3 1.0
N A:SER180 4.3 19.9 1.0
CA A:SER180 4.3 20.0 1.0
O A:HOH753 4.6 30.0 1.0
O A:HOH840 4.6 44.9 1.0
NH2 A:ARG149 5.0 39.4 1.0
MG A:MG402 5.0 17.9 1.0

Fluorine binding site 2 out of 2 in 6ctr

Go back to Fluorine Binding Sites List in 6ctr
Fluorine binding site 2 out of 2 in the Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Chf (R & S Isomers), Beta, Gamma Dctp Analogue


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Ternary Complex Crystal Structure of Dna Polymerase Beta with A Dideoxy Terminated Primer with Chf (R & S Isomers), Beta, Gamma Dctp Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F405

b:22.7
occ:0.37
F4B A:FF4405 0.0 22.7 0.4
C3B A:F3C404 1.3 22.6 0.6
C3B A:FF4405 1.3 22.6 0.4
F4B A:F3C404 2.3 24.4 0.6
PG A:F3C404 2.6 30.9 0.6
PG A:FF4405 2.6 30.9 0.4
PB A:F3C404 2.6 19.3 0.6
PB A:FF4405 2.6 19.3 0.4
O3A A:F3C404 2.8 21.3 0.6
O3A A:FF4405 2.8 21.3 0.4
O1G A:F3C404 2.9 38.2 0.6
O1G A:FF4405 2.9 38.2 0.4
O A:HOH840 2.9 44.9 1.0
O A:HOH800 3.2 30.8 1.0
O2G A:F3C404 3.3 25.5 0.6
O2G A:FF4405 3.3 25.5 0.4
O2B A:F3C404 3.4 17.4 0.6
O2B A:FF4405 3.4 17.4 0.4
O A:HOH724 3.4 18.5 1.0
O A:HOH741 3.4 27.4 1.0
O1B A:F3C404 3.8 19.4 0.6
O1B A:FF4405 3.8 19.4 0.4
O3G A:F3C404 3.8 25.7 0.6
O3G A:FF4405 3.8 25.7 0.4
PA A:F3C404 3.9 19.6 0.6
PA A:FF4405 3.9 19.6 0.4
O2A A:F3C404 4.0 19.2 0.6
O2A A:FF4405 4.0 19.2 0.4
O A:HOH677 4.4 28.4 1.0
O1A A:F3C404 4.4 17.6 0.6
O1A A:FF4405 4.4 17.6 0.4
O A:HOH771 4.7 43.1 1.0
MG A:MG402 4.7 17.9 1.0
NH2 A:ARG183 4.9 21.2 1.0

Reference:

V.K.Batra, K.Oertell, W.A.Beard, B.A.Kashemirov, C.E.Mckenna, M.F.Goodman, S.H.Wilson. Mapping Functional Substrate-Enzyme Interactions in the Pol Beta Active Site Through Chemical Biology: Structural Responses to Acidity Modification of Incoming Dntps. Biochemistry V. 57 3934 2018.
ISSN: ISSN 1520-4995
PubMed: 29874056
DOI: 10.1021/ACS.BIOCHEM.8B00418
Page generated: Tue Jul 15 10:29:37 2025

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